4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine

C18H26N4O2S — CID 127246039

IUPAC4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
SMILESCCCn1nccc1-c1cc(CC2CCCN(S(C)(=O)=O)C2)ccn1
InChIInChI=1S/C18H26N4O2S/c1-3-10-22-18(7-9-20-22)17-13-15(6-8-19-17)12-16-5-4-11-21(14-16)25(2,23)24/h6-9,13,16H,3-5,10-12,14H2,1-2H3
InChIKeyJXWLQGNURCQORH-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.57
Rot. Bonds6

About 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine

4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine (PubChem CID 127246039) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
PubChem CID127246039
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
SMILESCCCn1nccc1-c1cc(CC2CCCN(S(C)(=O)=O)C2)ccn1
InChIInChI=1S/C18H26N4O2S/c1-3-10-22-18(7-9-20-22)17-13-15(6-8-19-17)12-16-5-4-11-21(14-16)25(2,23)24/h6-9,13,16H,3-5,10-12,14H2,1-2H3
InChIKeyJXWLQGNURCQORH-UHFFFAOYSA-N
XLogP2.57
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propylpyrazol-3-yl)pyrimidine
CID 124976471
2-(2-ethylpyrazol-3-yl)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine
CID 125017183
4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124964395
4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
CID 125005949
4-(piperidin-4-ylmethyl)-2-(2-propylpyrazol-3-yl)pyridine
CID 110102012
2-[(3S)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyridine
CID 124943820
4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-(2-propylpyrazol-3-yl)pyridine
CID 124997758
5-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
CID 110102092
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrazine
CID 124973464
4-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-pyridin-2-ylpyridin-2-amine
CID 110256844
2-(2-ethylpyrazol-3-yl)-5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine
CID 125022325
2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110102065

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine?
The IUPAC name of 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine (CID 127246039) is 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine.
What is the SMILES notation for 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine?
The canonical SMILES for 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine is CCCn1nccc1-c1cc(CC2CCCN(S(C)(=O)=O)C2)ccn1.
What is the InChIKey of 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine?
The InChIKey is JXWLQGNURCQORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-3-10-22-18(7-9-20-22)17-13-15(6-8-19-17)12-16-5-4-11-21(14-16)25(2,23)24/h6-9,13,16H,3-5,10-12,14H2,1-2H3.
What are the key properties of 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine?
4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine has a molecular weight of 362.50 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine is sourced from PubChem (CID 127246039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).